N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine

C15H21N3 — CID 78911302

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H21N3/c1-11-5-4-6-12(9-11)16-10-15-17-13-7-2-3-8-14(13)18-15/h2-3,7-8,11-12,16H,4-6,9-10H2,1H3,(H,17,18)
InChIKeyXMAIQHFASIBYOR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.23
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine

N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine (PubChem CID 78911302) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
PubChem CID78911302
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H21N3/c1-11-5-4-6-12(9-11)16-10-15-17-13-7-2-3-8-14(13)18-15/h2-3,7-8,11-12,16H,4-6,9-10H2,1H3,(H,17,18)
InChIKeyXMAIQHFASIBYOR-UHFFFAOYSA-N
XLogP3.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine
CID 78946096
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
N-(1H-benzimidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 78954108
N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 78960182
(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine
CID 51635795
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine (CID 78911302) is N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine is CC1CCCC(NCc2nc3ccccc3[nH]2)C1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine?
The InChIKey is XMAIQHFASIBYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-5-4-6-12(9-11)16-10-15-17-13-7-2-3-8-14(13)18-15/h2-3,7-8,11-12,16H,4-6,9-10H2,1H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine?
N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 78911302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).